[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C19H27N3O5 MolecularWeight: 377.43478

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC[C@H](C)NC(=O)COC(=O)C1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O5/c1-3-6-14(2)20-18(23)13-27-19(24)15-9-11-21(12-10-15)16-7-4-5-8-17(16)22(25)26/h4-5,7-8,14-15H,3,6,9-13H2,1-2H3,(H,20,23)/t14-/m0/s1